N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide

C16H17NO3 — CID 18783048

IUPACN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C16H17NO3/c1-2-15(18)17-8-7-11-10-20-14-6-5-13-12(16(11)14)4-3-9-19-13/h2,5-6,10H,1,3-4,7-9H2,(H,17,18)
InChIKeyBCLCSABOJJVISO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide

N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide (PubChem CID 18783048) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide
PubChem CID18783048
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C16H17NO3/c1-2-15(18)17-8-7-11-10-20-14-6-5-13-12(16(11)14)4-3-9-19-13/h2,5-6,10H,1,3-4,7-9H2,(H,17,18)
InChIKeyBCLCSABOJJVISO-UHFFFAOYSA-N
XLogP2.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide (CID 18783048) is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1coc2ccc3c(c12)CCCO3.
What is the InChIKey of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide?
The InChIKey is BCLCSABOJJVISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-15(18)17-8-7-11-10-20-14-6-5-13-12(16(11)14)4-3-9-19-13/h2,5-6,10H,1,3-4,7-9H2,(H,17,18).
What are the key properties of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide?
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 18783048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).